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Cas Database |
| Name |
Disulfide,bis(phenylthioxomethyl) |
EINECS | N/A |
| CAS No. | 5873-93-8 | Density | 1.367 g/cm3 |
| PSA | 114.78000 | LogP | 5.11920 |
| Solubility | N/A | Melting Point |
94-96°C |
| Formula | C14H10S4 | Boiling Point | 446.8 °C at 760 mmHg |
| Molecular Weight | 306.497 | Flash Point | 224 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 60-61 | Risk Codes | 50/53 |
| Molecular Structure |
|
Hazard Symbols | N |
| Synonyms |
Disulfide,bis(thiobenzoyl) (6CI,7CI,8CI);Bis(thiobenzoyl) disulfide;Di(thiobenzoyl)disulfide; |
Article Data | 37 |
Disulfide,bis(phenylthioxomethyl) Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: bromobenzene With iodine; magnesium In tetrahydrofuran at 30 - 75℃; for 3h; Inert atmosphere; Stage #2: carbon disulfide In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere; | 90% |
| Stage #1: bromobenzene With magnesium; iodine In tetrahydrofuran Stage #2: carbon disulfide In tetrahydrofuran Grignard reaction; Stage #3: With dimethyl sulfoxide; iodine In ethanol at 20℃; for 1h; Further stages.; | 82% |
| Stage #1: bromobenzene With iodine; magnesium In tetrahydrofuran Stage #2: carbon disulfide In tetrahydrofuran at 20℃; for 1h; Stage #3: With p-toluenesulfonyl chloride In tetrahydrofuran at 0 - 20℃; for 1.5h; | 55% |
| Stage #1: bromobenzene With iodine; magnesium In tetrahydrofuran for 3h; Stage #2: carbon disulfide In tetrahydrofuran for 3h; Stage #3: With iodine In water | |
| Stage #1: carbon disulfide; bromobenzene With magnesium In tetrahydrofuran at 0℃; Inert atmosphere; Stage #2: With water; potassium hexacyanoferrate(III) for 1.5h; | 4.88 g |
- 1114-31-4
diethyl meso-2,3-dibromosuccinate
- 42967-74-8
dithiobenzoic acid triethylammonium salt
A
- 5873-93-8
bis(thiobenzoyl) disulfide
B
- 623-91-6
diethyl Fumarate
| Conditions | Yield |
|---|---|
| In ethanol | A 54% B 50% |
| Conditions | Yield |
|---|---|
| With iodine In water at 20℃; for 0.25h; | 50% |
| With potassium hexacyanoferrate(III) In water at 20℃; for 1h; | |
| With potassium hexacyanoferrate(III) |
| Conditions | Yield |
|---|---|
| at 0 - 20℃; for 0.5h; | 35% |
| In tetrahydrofuran; 2-methyltetrahydrofuran at 0℃; for 0.75h; Inert atmosphere; | 31% |
| Stage #1: carbon disulfide; phenylmagnesium bromide In tetrahydrofuran Stage #2: With iodine; potassium carbonate In water |
- 128-09-6
N-chloro-succinimide
- 97270-46-7
thiobenzoyl diphenylphosphino sulfide
A
- 5873-93-8
bis(thiobenzoyl) disulfide
B
- 80031-12-5
N-(thiobenzoylthio)succinimide
C
- 1101-41-3
Tetraphenyldiphosphin
| Conditions | Yield |
|---|---|
| In tetrahydrofuran | A n/a B 16% C n/a |
- 7631-95-0
sodium molybdate dihydrate
- 50929-87-8
diethylammonium dithiobenzoate
B
- 81844-27-1, 71900-01-1
(η3-dithiobenzoato-SCS')oxo(trithioperoxybenzoato-S,S'S'')molybdenum(IV)
D
- 5873-93-8
bis(thiobenzoyl) disulfide
| Conditions | Yield |
|---|---|
| With NaCH3COO; hydrochloric acid In water to aq. soln. of Na2MoO4*2H2O, (NEt2H2)(S2CPh), and MeCO2Na added HCl (1.0 M) dropwise with stirring at room temp.; ppt. filtered off, washed with water and methanol, dried in vac., chromd. (SiO2, CS2), orange fraction evapd. in vac., recrystd. from CH2Cl2-light petroleum; elem. anal.; | A n/a B 6% C n/a D n/a |
- 19911-87-6
tetraethylammonium dithiobenzoate
A
- 5873-86-9
methyl thiobenzoate
B
- 1125-88-8
benzaldehyde dimethyl acetal
C
- 5873-93-8
bis(thiobenzoyl) disulfide
| Conditions | Yield |
|---|---|
| With tetraethylammonium perchlorate In methanol at 80℃; for 3h; electrochemical reaction, 14 mA*cm-2, 2.5 F; Further byproducts given; | A n/a B n/a C n/a D 5% |
- 60-29-7
diethyl ether
- 936-63-0
S-ethyl dithiobenzoate
A
- 5873-93-8
bis(thiobenzoyl) disulfide
B
- 1727-16-8
S-trityl benzothioate
| Conditions | Yield |
|---|---|
| nachf. Behandeln mit Benzoylchlorid; |
- 50929-87-8
diethylammonium dithiobenzoate
- 5873-93-8
bis(thiobenzoyl) disulfide
| Conditions | Yield |
|---|---|
| With iodine In ethanol at -5℃; for 0.166667h; |
Disulfide,bis(phenylthioxomethyl) Specification
The Disulfide,bis(phenylthioxomethyl), with the CAS registry number 5873-93-8, is also known as Bis(thiobenzoyl) disulfide. This chemical's molecular formula is C14H10S4 and molecular weight is 306.497. What's more, its systematic name is called Diphenyldithioperoxyanhydride.
Physical properties about Disulfide,bis(phenylthioxomethyl) are: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.84; (4)ACD/LogD (pH 7.4): 5.84; (5)ACD/BCF (pH 5.5): 16156.2; (6)ACD/BCF (pH 7.4): 16156.2; (7)ACD/KOC (pH 5.5): 35802.75; (8)ACD/KOC (pH 7.4): 35802.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 114.78 Å2; (13)Index of Refraction: 1.755; (14)Molar Refractivity: 91.76 cm3; (15)Molar Volume: 224 cm3; (16)Surface Tension: 74.1 dyne/cm; (17)Density: 1.367 g/cm3; (18)Flash Point: 224 °C; (19)Enthalpy of Vaporization: 67.79 kJ/mol; (20)Boiling Point: 446.8 °C at 760 mmHg; (21)Vapour Pressure: 9.34E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: S=C(SSC(=S)c1ccccc1)c2ccccc2
(2) InChI: InChI=1/C14H10S4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
(3) InChIKey: LWGLGSPYKZTZBM-UHFFFAOYAM
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